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  • Currently displaying 20381 - 20400 of 30213 publications
Author(s)
Publication title
Journal Name
Publication year
Structure and dynamics of gold atomic chains grown on Cu(110): Experiment and theory - art. no. 121408
G Kyriakou, FJ Williams, MS Tikhov, A Wander, RM Lambert
Physical Review B Condensed Matter and Materials Physics
(2005)
72
Achieving polymorphic and stoichiometric diversity in cocrystal formation: Importance of solid-state grinding, powder X-ray structure determination, and seeding
T Yoneyama, I Yamakami, S Mine, N Saeki, A Yamaura, H Ozaki, M Nakazaki
No Shinkei Geka. Neurological Surgery
(2005)
32
MACiE: a database of enzyme reaction mechanisms.
GL Holliday, GJ Bartlett, DE Almonacid, NM O'Boyle, P Murray-Rust, JM Thornton, JBO Mitchell
Bioinformatics
(2005)
21
A versatile organocatalyst for the asymmetric conjugate addition of nitroalkanes to enones.
CET Mitchell, SE Brenner, SV Ley
Chemical Communications
(2005)
Influence of vibrational energy flow on isomerization of flexible molecules: Incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization
JK Agbo, DM Leitner, DA Evans, DJ Wales
J Chem Phys
(2005)
123
Design and Construction of a 2D Metal Organic Framework with Multiple Cavities: A Nonregular Net with a Paracyclophane that Codes for Multiply Fused Nodes
GS Papaefstathiou, T Friscić, LR MacGillivray
Journal of the American Chemical Society
(2005)
127
Why isn't 'standard' heme good enough for c-type and d1-type cytochromes?
JWA Allen, PD Barker, O Daltrop, JM Stevens, EJ Tomlinson, N Sinha, Y Sambongi, SJ Ferguson
Dalton Transactions
(2005)
Organic crystals absorb hydrogen gas under mild conditions.
PK Thallapally, GO Lloyd, TB Wirsig, MW Bredenkamp, JL Atwood, LJ Barbour
Chem Commun (Camb)
(2005)
Prediction of atomic structure from sequence for double helical DNA Oligomers
J Farwer, MJ Packer, CA Hunter
Biopolymers
(2005)
81
Pathways for dissociative ethane chemisorption on Pt{110} (1x2) using density functional theory
AT Anghel, DJ Wales, SJ Jenkins, DA King
Chemical Physics Letters
(2005)
413
1,4,7,10-tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane
GO Lloyd, RC Luckay
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
A broadband cavity ringdown spectrometer for in-situ measurements of atmospheric trace gases
M Bitter, SM Ball, IM Povey, RL Jones
Atmospheric Chemistry and Physics
(2005)
5
A third blind test of crystal structure prediction.
GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, E Venuti, A Dzyabchenko, JD Dunitz, B Schweizer, BP van Eijck, P Erk, JC Facelli, VE Bazterra, MB Ferraro, DWM Hofmann, FJJ Leusen, C Liang, CC Pantelides, PG Karamertzanis, SL Price, TC Lewis, H Nowell, A Torrisi, HA Scheraga, YA Arnautova, MU Schmidt, P Verwer
Acta crystallographica. Section B, Structural science
(2005)
61
PNA forms an i-motif.
Y Krishnan-Ghosh, E Stephens, S Balasubramanian
Chem Commun (Camb)
(2005)
Transition State Contact Orders Correlate with Protein Folding Rates
E Paci, K Lindorff-Larsen, CM Dobson, M Karplus, M Vendruscolo
J Mol Biol
(2005)
352
Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates.
J Holman, PB Davies, T Nishida, S Ye, DJ Neivandt
The Journal of Physical Chemistry B
(2005)
109
Large-N_f behavior of the Yukawa model: analytic results
S Caracciolo, BM Mognetti, A Pelissetto
PoS LAT
(2005)
2005
Lattice sums and their derivatives for surface adlayers
AJS *
Molecular Physics
(2005)
103
First principles study of d→d excitations in bulk NiO
DS Middlemiss, WCM *
Molecular Physics
(2005)
103
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: Limitations of the descriptor and the importance of balanced chemistry in training and test sets
A Bender, HY Mussa, RC Glen
SLAS Discovery
(2005)
10